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	hartrees
Energy at 0K	-689.143641
Energy at 298.15K	-689.147256
HF Energy	-689.143641
Nuclear repulsion energy	263.552952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3195	0.06
2	A'	3226	3180	0.23
3	A'	3204	3158	2.30
4	A'	1572	1550	19.12
5	A'	1483	1462	55.05
6	A'	1382	1362	12.50
7	A'	1216	1198	7.56
8	A'	1180	1163	52.07
9	A'	1130	1114	7.65
10	A'	1065	1050	14.25
11	A'	1010	995	21.54
12	A'	905	892	30.20
13	A'	866	854	0.95
14	A'	484	477	5.45
15	A'	306	302	0.39
16	A"	820	808	0.00
17	A"	758	747	30.61
18	A"	685	675	36.92
19	A"	599	591	8.55
20	A"	590	582	0.49
21	A"	215	212	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.270
C2	1.321	-0.098
C3	1.312	-1.535
C4	-0.002	-1.919
O5	-0.827	-0.816
Cl6	-0.765	1.807
H7	2.179	0.570
H8	2.180	-2.193
H9	-0.516	-2.876

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3712	2.2315	2.1888	1.3649	1.7168	2.1995	3.2893	3.1884
C2	1.3712		1.4363	2.2500	2.2641	2.8252	1.0877	2.2642	3.3302
C3	2.2315	1.4363		1.3692	2.2566	3.9348	2.2760	1.0891	2.2678
C4	2.1888	2.2500	1.3692		1.3771	3.8029	3.3089	2.1988	1.0869
O5	1.3649	2.2641	2.2566	1.3771		2.6233	3.3098	3.3070	2.0836
Cl6	1.7168	2.8252	3.9348	3.8029	2.6233		3.1937	4.9674	4.6896
H7	2.1995	1.0877	2.2760	3.3089	3.3098	3.1937		2.7632	4.3748
H8	3.2893	2.2642	1.0891	2.1988	3.3070	4.9674	2.7632		2.7811
H9	3.1884	3.3302	2.2678	1.0869	2.0836	4.6896	4.3748	2.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.256	C1	C2	H7	126.502
C1	O5	C4	105.923	C2	C1	O5	111.690
C2	C1	Cl6	132.074	C2	C3	C4	106.622
C2	C3	H8	126.874	C3	C2	H7	128.242
C3	C4	O5	110.508	C3	C4	H9	134.526
C4	C3	H8	126.504	O5	C1	Cl6	116.237
O5	C4	H9	114.965

All results from a given calculation for C₄H₃ClO (Furan, 2-chloro)

using model chemistry: PBEPBE/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.108
2	C	-0.173
3	C	-0.182
4	C	0.052
5	O	-0.354
6	Cl	0.056
7	H	0.164
8	H	0.157
9	H	0.171

	x	y	z	Total
	1.160	-1.185	0.000	1.658
CHELPG
AIM
ESP

	x	y	z
x	8.067	-1.295	0.000
y	-1.295	10.593	0.000
z	0.000	0.000	3.309

<r²>	181.190
(<r²>)^1/2	13.461

All results from a given calculation for C4H3ClO (Furan, 2-chloro)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for C₄H₃ClO (Furan, 2-chloro)